CID 135405834

303108-12-5

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C20H20N4O4/c1-3-28-19-9-13(7-8-18(19)25)12-21-24-20(26)17-11-16(22-23-17)14-5-4-6-15(10-14)27-2/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
ODLIDIPJVSEZEB-CIAFOILYSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.155746 188.2
[M+Na]+ 403.137688 194.3
[M-H]- 379.141194 194.8
[M+NH4]+ 398.182293 197.5
[M+K]+ 419.111628 189.5
[M+H-H2O]+ 363.145730 177.6
[M+HCOO]- 425.146671 210.7
[M+CH3COO]- 439.162321 220.1
[M+Na-2H]- 401.123136 190.1
[M]+ 380.14792142 190.3
[M]- 380.14901858 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.